Geometry & MOs

Info

ID:	6122
PubChem CID:	67088
Reduced:	ClO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	320.154308
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	1.38
IP(EA), eV:	-8.66(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,11S,13S,14S,17S)-11-(chloromethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)CCl

DOS

IR

Vibrations